N-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-2-ethyl-hexanamide

Systemtic Name: N-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-2-ethyl-hexanamide Openeye Name: N-[1-[4-(5-chloro-2-methyl-phenyl)-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-2-ethyl-hexanamide CAS Name: N-[1-[4-(5-chloro-2-methylphenyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-3-yl]-2-phenylethyl]-2-ethylhexanamide IUPAC Name: N-[1-[4-(5-chloro-2-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenylethyl]-2-ethylhexanamide Traditional Name: N-[1-[4-(5-chloro-2-methyl-phenyl)-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-2-ethyl-hexanamide Formula: C33H39ClN4OS MolecularWeight: 575.20696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC(CC1=CC=CC=C1)C2=NN=C(N2C3=C(C=CC(=C3)Cl)C)SCC4=CC=CC(=C4)C

Isomeric SMILES

CCCCC(CC)C(=O)NC(CC1=CC=CC=C1)C2=NN=C(N2C3=C(C=CC(=C3)Cl)C)SCC4=CC=CC(=C4)C

InChI

InChI=1S/C33H39ClN4OS/c1-5-7-16-27(6-2)32(39)35-29(20-25-13-9-8-10-14-25)31-36-37-33(40-22-26-15-11-12-23(3)19-26)38(31)30-21-28(34)18-17-24(30)4/h8-15,17-19,21,27,29H,5-7,16,20,22H2,1-4H3,(H,35,39)